2-(hydroxymethyl)-6-methoxyoxane-2,3,5-triol

C7H14O6 — CID 91376036

IUPAC2-(hydroxymethyl)-6-methoxyoxane-2,3,5-triol
SMILESCOC1OC(O)(CO)C(O)CC1O
InChIInChI=1S/C7H14O6/c1-12-6-4(9)2-5(10)7(11,3-8)13-6/h4-6,8-11H,2-3H2,1H3
InChIKeyDJJSWPFFXGXAEM-UHFFFAOYSA-N
MW194.18 g/mol
LogP-2.22
Rot. Bonds2

About 2-(hydroxymethyl)-6-methoxyoxane-2,3,5-triol

2-(hydroxymethyl)-6-methoxyoxane-2,3,5-triol (PubChem CID 91376036) has the molecular formula C7H14O6 and a molecular weight of 194.18 g/mol. Its IUPAC name is 2-(hydroxymethyl)-6-methoxyoxane-2,3,5-triol.

Molecular Properties

Compound Name2-(hydroxymethyl)-6-methoxyoxane-2,3,5-triol
PubChem CID91376036
Molecular FormulaC7H14O6
Molecular Weight194.18 g/mol
Exact Mass194.08
IUPAC Name2-(hydroxymethyl)-6-methoxyoxane-2,3,5-triol
SMILESCOC1OC(O)(CO)C(O)CC1O
InChIInChI=1S/C7H14O6/c1-12-6-4(9)2-5(10)7(11,3-8)13-6/h4-6,8-11H,2-3H2,1H3
InChIKeyDJJSWPFFXGXAEM-UHFFFAOYSA-N
XLogP-2.22
TPSA99.38 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.18
LogP ≤ 5-2.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-6-methoxyoxane-2,3,5-triol?
The IUPAC name of 2-(hydroxymethyl)-6-methoxyoxane-2,3,5-triol (CID 91376036) is 2-(hydroxymethyl)-6-methoxyoxane-2,3,5-triol.
What is the SMILES notation for 2-(hydroxymethyl)-6-methoxyoxane-2,3,5-triol?
The canonical SMILES for 2-(hydroxymethyl)-6-methoxyoxane-2,3,5-triol is COC1OC(O)(CO)C(O)CC1O.
What is the InChIKey of 2-(hydroxymethyl)-6-methoxyoxane-2,3,5-triol?
The InChIKey is DJJSWPFFXGXAEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O6/c1-12-6-4(9)2-5(10)7(11,3-8)13-6/h4-6,8-11H,2-3H2,1H3.
What are the key properties of 2-(hydroxymethyl)-6-methoxyoxane-2,3,5-triol?
2-(hydroxymethyl)-6-methoxyoxane-2,3,5-triol has a molecular weight of 194.18 g/mol, XLogP of -2.22, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-6-methoxyoxane-2,3,5-triol is sourced from PubChem (CID 91376036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).